1-(4-fluoropiperidin-1-yl)ethanesulfinate

C7H13FNO2S- — CID 68951286

IUPAC1-(4-fluoropiperidin-1-yl)ethanesulfinate
SMILESCC(N1CCC(F)CC1)S(=O)[O-]
InChIInChI=1S/C7H14FNO2S/c1-6(12(10)11)9-4-2-7(8)3-5-9/h6-7H,2-5H2,1H3,(H,10,11)/p-1
InChIKeyUJNBVLYHBCKECC-UHFFFAOYSA-M
MW194.25 g/mol
LogP0.65
Rot. Bonds2

About 1-(4-fluoropiperidin-1-yl)ethanesulfinate

1-(4-fluoropiperidin-1-yl)ethanesulfinate (PubChem CID 68951286) has the molecular formula C7H13FNO2S- and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)ethanesulfinate.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)ethanesulfinate
PubChem CID68951286
Molecular FormulaC7H13FNO2S-
Molecular Weight194.25 g/mol
Exact Mass194.07
IUPAC Name1-(4-fluoropiperidin-1-yl)ethanesulfinate
SMILESCC(N1CCC(F)CC1)S(=O)[O-]
InChIInChI=1S/C7H14FNO2S/c1-6(12(10)11)9-4-2-7(8)3-5-9/h6-7H,2-5H2,1H3,(H,10,11)/p-1
InChIKeyUJNBVLYHBCKECC-UHFFFAOYSA-M
XLogP0.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-(4-fluoropiperidin-1-yl)ethanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
1-Methyl-1-piperidinomethane sulfonate
CID 10420128
2-(4-Fluoropiperidin-1-yl)ethanesulfinate
CID 68950733
1-(1-Fluoroethylsulfonyl)piperidine
CID 89229763
1-(2-Fluoroethyl)piperidine-4-sulfinate
CID 89881606
1-(2-Fluoroethyl)piperidine-4-sulfinic acid
CID 89881607
1-(2,2,2-Trifluoroethyl)piperidine-4-sulfinate
CID 89881705
1-Ethylsulfonyl-4,4-difluoropiperidine
CID 121184667
1-(3,3,3-Trifluoropropyl)piperidine-4-sulfinate
CID 123767622
1-(2-Fluoroethyl)piperidine-4-sulfonamide
CID 126989679
1-(2-Fluoroethyl)piperidine-3-sulfonamide
CID 131225279
1-(3-Fluoropiperidin-1-yl)propane-2-sulfonic acid
CID 162768604

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)ethanesulfinate?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)ethanesulfinate (CID 68951286) is 1-(4-fluoropiperidin-1-yl)ethanesulfinate.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)ethanesulfinate?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)ethanesulfinate is CC(N1CCC(F)CC1)S(=O)[O-].
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)ethanesulfinate?
The InChIKey is UJNBVLYHBCKECC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14FNO2S/c1-6(12(10)11)9-4-2-7(8)3-5-9/h6-7H,2-5H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-(4-fluoropiperidin-1-yl)ethanesulfinate?
1-(4-fluoropiperidin-1-yl)ethanesulfinate has a molecular weight of 194.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)ethanesulfinate is sourced from PubChem (CID 68951286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).